[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid

C15H11ClN2O3 — CID 174224767

IUPAC[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(-c2coc3cc(Cl)cnc23)c1
InChIInChI=1S/C15H11ClN2O3/c16-11-5-13-14(17-7-11)12(8-21-13)10-3-1-2-9(4-10)6-18-15(19)20/h1-5,7-8,18H,6H2,(H,19,20)
InChIKeySJEQECBGQPSZIC-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.92
Rot. Bonds3

About [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid

[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid (PubChem CID 174224767) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid
PubChem CID174224767
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(-c2coc3cc(Cl)cnc23)c1
InChIInChI=1S/C15H11ClN2O3/c16-11-5-13-14(17-7-11)12(8-21-13)10-3-1-2-9(4-10)6-18-15(19)20/h1-5,7-8,18H,6H2,(H,19,20)
InChIKeySJEQECBGQPSZIC-UHFFFAOYSA-N
XLogP3.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea
CID 171471574
[3-(4,5-diamino-3-pyridinyl)phenyl]methylcarbamic acid
CID 155070178
[3-(furan-3-yl)phenyl]methylcarbamic acid
CID 86653352
[3-(5-amino-1-benzofuran-7-yl)phenyl]methylcarbamic acid
CID 139560642
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
(3-carbonochloridoylphenyl)methylcarbamic acid
CID 174223419
[3-(5-chloro-3-fluoro-2-pyridinyl)phenyl]methanol
CID 118042447
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
[3-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl-[(4-phenylphenyl)methyl]amino]methyl]phenyl]methylcarbamic acid
CID 66616761
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
CID 169411976

Frequently Asked Questions

What is the IUPAC name of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid?
The IUPAC name of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid (CID 174224767) is [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid.
What is the SMILES notation for [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid?
The canonical SMILES for [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid is O=C(O)NCc1cccc(-c2coc3cc(Cl)cnc23)c1.
What is the InChIKey of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid?
The InChIKey is SJEQECBGQPSZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-11-5-13-14(17-7-11)12(8-21-13)10-3-1-2-9(4-10)6-18-15(19)20/h1-5,7-8,18H,6H2,(H,19,20).
What are the key properties of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid?
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid has a molecular weight of 302.72 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid is sourced from PubChem (CID 174224767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).