6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H16ClN5O2 — CID 24929203

IUPAC6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=[N+]([O-])c1ccc(Cl)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1
InChIInChI=1S/C19H16ClN5O2/c20-17-2-1-16(25(26)27)9-14(17)11-24-8-5-18-15(12-24)10-22-19(23-18)13-3-6-21-7-4-13/h1-4,6-7,9-10H,5,8,11-12H2
InChIKeyBVFQXZRVSVTEBS-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.66
Rot. Bonds4

About 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929203) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929203
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=[N+]([O-])c1ccc(Cl)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1
InChIInChI=1S/C19H16ClN5O2/c20-17-2-1-16(25(26)27)9-14(17)11-24-8-5-18-15(12-24)10-22-19(23-18)13-3-6-21-7-4-13/h1-4,6-7,9-10H,5,8,11-12H2
InChIKeyBVFQXZRVSVTEBS-UHFFFAOYSA-N
XLogP3.66
TPSA85.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
6-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929213
6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917554
6-[(2-methoxy-4-nitrophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929767
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909880
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
2-(4-chlorophenyl)-6-[[6-(3-nitrophenyl)-2-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915498
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929728
6-[(2-chloro-5-nitrophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917547
3-(4-chlorophenyl)-5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917376

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929203) is 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=[N+]([O-])c1ccc(Cl)c(CN2CCc3nc(-c4ccncc4)ncc3C2)c1.
What is the InChIKey of 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BVFQXZRVSVTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c20-17-2-1-16(25(26)27)9-14(17)11-24-8-5-18-15(12-24)10-22-19(23-18)13-3-6-21-7-4-13/h1-4,6-7,9-10H,5,8,11-12H2.
What are the key properties of 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 381.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).