4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide

C17H13ClFN3O2 — CID 135135602

IUPAC4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(C(O)c2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C17H13ClFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,16,21,23H,(H,22,24)
InChIKeyGDYATJBFCWMPNV-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.54
Rot. Bonds4

About 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide

4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 135135602) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID135135602
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(C(O)c2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C17H13ClFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,16,21,23H,(H,22,24)
InChIKeyGDYATJBFCWMPNV-UHFFFAOYSA-N
XLogP3.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 118959104
4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 134610564
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
1-[(2R)-2-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxypropyl]-3-pyridin-3-ylurea
CID 97218475
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
1-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 166213427
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
4-fluoro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 17396124
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide (CID 135135602) is 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide is O=C(Nc1cccnc1)c1cc(C(O)c2c(F)cccc2Cl)c[nH]1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is GDYATJBFCWMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,16,21,23H,(H,22,24).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 345.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135135602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).