4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium

C17H22ClN3O3Re — CID 20822489

IUPAC4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium
SMILESC=O.C=O.C=O.CCCCCc1cnc(-c2ccccn2)nc1Cl.[Re]
InChIInChI=1S/C14H16ClN3.3CH2O.Re/c1-2-3-4-7-11-10-17-14(18-13(11)15)12-8-5-6-9-16-12;3*1-2;/h5-6,8-10H,2-4,7H2,1H3;3*1H2;
InChIKeyGOCNFKDRUTXJHZ-UHFFFAOYSA-N
MW538.04 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium

4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium (PubChem CID 20822489) has the molecular formula C17H22ClN3O3Re and a molecular weight of 538.04 g/mol. Its IUPAC name is 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium.

Molecular Properties

Compound Name4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium
PubChem CID20822489
Molecular FormulaC17H22ClN3O3Re
Molecular Weight538.04 g/mol
Exact Mass538.09
IUPAC Name4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium
SMILESC=O.C=O.C=O.CCCCCc1cnc(-c2ccccn2)nc1Cl.[Re]
InChIInChI=1S/C14H16ClN3.3CH2O.Re/c1-2-3-4-7-11-10-17-14(18-13(11)15)12-8-5-6-9-16-12;3*1-2;/h5-6,8-10H,2-4,7H2,1H3;3*1H2;
InChIKeyGOCNFKDRUTXJHZ-UHFFFAOYSA-N
XLogP3.37
TPSA89.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.04
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-pentylpyridine
CID 54505218
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-(2-octylphenyl)pyridine
CID 15643012
2-(2,6-dibutyl-4-chlorophenyl)pyridine
CID 160991399
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
2-(2-butylphenyl)pyridine
CID 11977286
3,4-di(nonadecyl)-2-pyridin-2-ylpyridine
CID 164513177
N-cyclopentyl-5-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 53234793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium?
The IUPAC name of 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium (CID 20822489) is 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium.
What is the SMILES notation for 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium?
The canonical SMILES for 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium is C=O.C=O.C=O.CCCCCc1cnc(-c2ccccn2)nc1Cl.[Re].
What is the InChIKey of 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium?
The InChIKey is GOCNFKDRUTXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3.3CH2O.Re/c1-2-3-4-7-11-10-17-14(18-13(11)15)12-8-5-6-9-16-12;3*1-2;/h5-6,8-10H,2-4,7H2,1H3;3*1H2;.
What are the key properties of 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium?
4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium has a molecular weight of 538.04 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pentyl-2-pyridin-2-ylpyrimidine;formaldehyde;rhenium is sourced from PubChem (CID 20822489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).