4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide

C13H11ClN2O2 — CID 82343541

IUPAC4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(CO)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-11-3-1-10(2-4-11)13(18)16-12-7-9(8-17)5-6-15-12/h1-7,17H,8H2,(H,15,16,18)
InChIKeyREMYIKGYPXQZBA-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide

4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 82343541) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID82343541
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(CO)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/c14-11-3-1-10(2-4-11)13(18)16-12-7-9(8-17)5-6-15-12/h1-7,17H,8H2,(H,15,16,18)
InChIKeyREMYIKGYPXQZBA-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
CID 82343569
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
CID 82343536
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
(2-hydrazinyl-4-pyridinyl)methanol
CID 59843154
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
N-(4-ethyl-2-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59781573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide (CID 82343541) is 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide is O=C(Nc1cc(CO)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is REMYIKGYPXQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-3-1-10(2-4-11)13(18)16-12-7-9(8-17)5-6-15-12/h1-7,17H,8H2,(H,15,16,18).
What are the key properties of 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide?
4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 262.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 82343541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).