N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide

C13H11ClN2O2 — CID 102126964

IUPACN-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide
SMILESO=CNc1ccccc1C(O)c1cccnc1Cl
InChIInChI=1S/C13H11ClN2O2/c14-13-10(5-3-7-15-13)12(18)9-4-1-2-6-11(9)16-8-17/h1-8,12,18H,(H,16,17)
InChIKeyDGCNKQNAHIWQLO-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.38
Rot. Bonds4

About N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide

N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide (PubChem CID 102126964) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide
PubChem CID102126964
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide
SMILESO=CNc1ccccc1C(O)c1cccnc1Cl
InChIInChI=1S/C13H11ClN2O2/c14-13-10(5-3-7-15-13)12(18)9-4-1-2-6-11(9)16-8-17/h1-8,12,18H,(H,16,17)
InChIKeyDGCNKQNAHIWQLO-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

bis(2-chloro-3-pyridinyl)methanol
CID 14691920
(2-chloro-3-pyridinyl)methanediol
CID 163733643
N-[4-chloro-2-(2-chloro-3-pyridinyl)phenyl]formamide
CID 151611576
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
N-(2-propan-2-ylphenyl)formamide
CID 22181996
(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
CID 54170926
3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
1-(2-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819352
(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
CID 125491707
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
N-(2-propan-2-yloxy-3-pyridinyl)formamide
CID 64991997
N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide
CID 142226533

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide?
The IUPAC name of N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide (CID 102126964) is N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide?
The canonical SMILES for N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide is O=CNc1ccccc1C(O)c1cccnc1Cl.
What is the InChIKey of N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide?
The InChIKey is DGCNKQNAHIWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-13-10(5-3-7-15-13)12(18)9-4-1-2-6-11(9)16-8-17/h1-8,12,18H,(H,16,17).
What are the key properties of N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide?
N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide has a molecular weight of 262.70 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-3-pyridinyl)-hydroxymethyl]phenyl]formamide is sourced from PubChem (CID 102126964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).